1-[4-(aminomethyl)-2-methylphenyl]-N,N-dimethylpyrrolidine-2-carboxamide

C15H23N3O — CID 54934284

IUPAC1-[4-(aminomethyl)-2-methylphenyl]-N,N-dimethylpyrrolidine-2-carboxamide
SMILESCc1cc(CN)ccc1N1CCCC1C(=O)N(C)C
InChIInChI=1S/C15H23N3O/c1-11-9-12(10-16)6-7-13(11)18-8-4-5-14(18)15(19)17(2)3/h6-7,9,14H,4-5,8,10,16H2,1-3H3
InChIKeyRVEMLNRRXLIGCM-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.51
Rot. Bonds3

About 1-[4-(aminomethyl)-2-methylphenyl]-N,N-dimethylpyrrolidine-2-carboxamide

1-[4-(aminomethyl)-2-methylphenyl]-N,N-dimethylpyrrolidine-2-carboxamide (PubChem CID 54934284) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 1-[4-(aminomethyl)-2-methylphenyl]-N,N-dimethylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[4-(aminomethyl)-2-methylphenyl]-N,N-dimethylpyrrolidine-2-carboxamide
PubChem CID54934284
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name1-[4-(aminomethyl)-2-methylphenyl]-N,N-dimethylpyrrolidine-2-carboxamide
SMILESCc1cc(CN)ccc1N1CCCC1C(=O)N(C)C
InChIInChI=1S/C15H23N3O/c1-11-9-12(10-16)6-7-13(11)18-8-4-5-14(18)15(19)17(2)3/h6-7,9,14H,4-5,8,10,16H2,1-3H3
InChIKeyRVEMLNRRXLIGCM-UHFFFAOYSA-N
XLogP1.51
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-methylphenyl]methanamine
CID 55025133
1-[2-(aminomethyl)-3-chlorophenyl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 62500743
(2S)-1-(4,5-diamino-2-chlorophenyl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 129391550
1-[3-(aminomethyl)-2-pyridinyl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 43574359
1-[4-[(2-methoxyethylamino)methyl]-2-methylphenyl]pyrrolidine-2-carboxamide
CID 63061257
1-(2-amino-3-chlorophenyl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 104834158
(2R)-1-(3-amino-4-pyridinyl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 93173237
1-(4-chloro-2-nitrophenyl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 134032255
1-(5-amino-1H-pyrazol-4-yl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 82234963
1-[2-(aminomethyl)-4-methylphenyl]pyrrolidine-2-carboxamide
CID 114016618
1-[4-(aminomethyl)-2-methylphenyl]sulfonylpyrrolidine-2-carboxamide
CID 106996648
1-(2-amino-5-bromo-4-fluorophenyl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 116735536

Frequently Asked Questions

What is the IUPAC name of 1-[4-(aminomethyl)-2-methylphenyl]-N,N-dimethylpyrrolidine-2-carboxamide?
The IUPAC name of 1-[4-(aminomethyl)-2-methylphenyl]-N,N-dimethylpyrrolidine-2-carboxamide (CID 54934284) is 1-[4-(aminomethyl)-2-methylphenyl]-N,N-dimethylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[4-(aminomethyl)-2-methylphenyl]-N,N-dimethylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-[4-(aminomethyl)-2-methylphenyl]-N,N-dimethylpyrrolidine-2-carboxamide is Cc1cc(CN)ccc1N1CCCC1C(=O)N(C)C.
What is the InChIKey of 1-[4-(aminomethyl)-2-methylphenyl]-N,N-dimethylpyrrolidine-2-carboxamide?
The InChIKey is RVEMLNRRXLIGCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-11-9-12(10-16)6-7-13(11)18-8-4-5-14(18)15(19)17(2)3/h6-7,9,14H,4-5,8,10,16H2,1-3H3.
What are the key properties of 1-[4-(aminomethyl)-2-methylphenyl]-N,N-dimethylpyrrolidine-2-carboxamide?
1-[4-(aminomethyl)-2-methylphenyl]-N,N-dimethylpyrrolidine-2-carboxamide has a molecular weight of 261.37 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(aminomethyl)-2-methylphenyl]-N,N-dimethylpyrrolidine-2-carboxamide is sourced from PubChem (CID 54934284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).